Brain HPC Cp2k Kernel Start

brain_hpc_cp2k_kernel_start
verified Electronic Structure brain cp2k
Start interactive shell session in CP2K Docker container

Parameters

NameTypeRequiredDescription
input_data string yes Input data for calculation

Examples

Example CP2K hpc cp2k kernel start

Beginning a DFT or ab initio MD workflow requiring multiple calculations

Prompt: “Start an interactive CP2K session”

brain_hpc_cp2k_kernel_start(input_data=...)

Usage notes

  • CP2K HPC module
  • Layer 3 Docker container architecture
  • GPU acceleration available where supported
CP2KExamplekernelstart